⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL15942908 | 0.89 | — | — | |
| SCHEMBL7898641 | 0.82 | — | — | |
| SCHEMBL30928250 | 0.82 | TSHR (0.37) | — | |
| SCHEMBL9815710 | 0.82 | TSHR (0.37) | — | |
| SCHEMBL18498 | 0.82 | TSHR (0.37) | — | |
| SCHEMBL21420110 | 0.81 | — | — | |
| SCHEMBL12135096 | 0.78 | HTT (0.34) | — | |
| SCHEMBL19791203 | 0.76 | LMNA (0.32) | — | |
| SCHEMBL11491455 | 0.76 | — | — | |
| SCHEMBL13098500 | 0.75 | TSHR (0.32) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2050789-B1 | POLYLACTIC ACID RESIN COMPOSITION, MOLDED BODY THEREOF AND POLYLACTIC ACID COMPOUND | MITSUI CHEMICALS INC (JP) | 2013-06-19 | — | — | EP | disclosed |